CID 135443077

2-methyl-6-phenyl-4-pyrimidinol

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC1=NC(=CC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O/c1-8-12-10(7-11(14)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)

InChIKey

YIDRCIOAPLVRFZ-UHFFFAOYSA-N

Compound name

2-methyl-4-phenyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 33
Patents: 186.07932 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.086596	138.3
[M+Na]+	209.068538	148.1
[M-H]-	185.072044	141.6
[M+NH4]+	204.113143	154.8
[M+K]+	225.042478	143.4
[M+H-H2O]+	169.076580	130.3
[M+HCOO]-	231.077521	159.9
[M+CH3COO]-	245.093171	151.4
[M+Na-2H]-	207.053986	146.2
[M]+	186.07877142	137.0
[M]-	186.07986858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe